Molecule ID: mol16371
SMILES: C#CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O
InChI: InChI=1S/C26H22ClN7O2/c1-3-10-32-25(35)22-23(21-12-28-15-31(21)2)34(30-24(22)33(26(32)36)13-16-4-5-16)14-17-8-9-29-20-7-6-18(27)11-19(17)20/h1,6-9,11-12,15-16H,4-5,10,13-14H2,2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 1 » 0 |